2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide

C24H20N2O5S — CID 24802467

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H20N2O5S/c1-16-11-13-18(14-12-16)32(30,31)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,21H,15H2,1H3,(H,25,27)
InChIKeyDISNVJMPXSMFTM-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.71
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide (PubChem CID 24802467) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
PubChem CID24802467
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H20N2O5S/c1-16-11-13-18(14-12-16)32(30,31)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,21H,15H2,1H3,(H,25,27)
InChIKeyDISNVJMPXSMFTM-UHFFFAOYSA-N
XLogP2.71
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide (CID 24802467) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide is Cc1ccc(S(=O)(=O)NC(=O)C(Cc2ccccc2)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide?
The InChIKey is DISNVJMPXSMFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-16-11-13-18(14-12-16)32(30,31)25-22(27)21(15-17-7-3-2-4-8-17)26-23(28)19-9-5-6-10-20(19)24(26)29/h2-14,21H,15H2,1H3,(H,25,27).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide has a molecular weight of 448.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)sulfonyl-3-phenylpropanamide is sourced from PubChem (CID 24802467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).